SCHEMBL6605947

SCHEMBL6605947

COc1cnc(/C(C#N)=C/c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
DYRK1A Q13627 5/20 0.51
KIF20A O95235 4/20 0.51
CLK1 P49759 4/20 0.51
PDE4D Q08499 2/20 0.48
EGFR P00533 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
HIF1A Q16665 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
MAPT P10636 2/20 0.45
PDE4A P27815 3/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
CLK2 P49760 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6605953 1.00 KDM4E (0.53) KDM4ENPC1POLBRAB9ADYRK1A
SCHEMBL6606109 0.90 MAPT (0.47) KDM4ENPC1POLBRAB9APDE4D
SCHEMBL6606116 0.90 MAPT (0.47) KDM4ENPC1POLBRAB9APDE4D
SCHEMBL6609041 0.89 PDE4D (0.45) PDE4DEGFRSMN1; SMN2RECQLHIF1A
SCHEMBL6609046 0.89 PDE4D (0.45) PDE4DEGFRSMN1; SMN2RECQLHIF1A
SCHEMBL6609611 0.84 PDE4B (0.43) NPC1POLBRAB9APDE4DEGFR
SCHEMBL6609617 0.84 PDE4B (0.43) NPC1POLBRAB9APDE4DEGFR
SCHEMBL6607722 0.83 PDE4B (0.44) PDE4DEGFRMAPTPDE4AKMT2A
SCHEMBL6607729 0.83 PDE4B (0.44) PDE4DEGFRMAPTPDE4AKMT2A
SCHEMBL6609810 0.83 KDM4E (0.52) KDM4ENPC1POLBRAB9ADYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed